REMARK  Name = BDB054362
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.548   2.268   1.739  0.00  0.00    +0.056 C 
ENDROOT
BRANCH   1   6
ATOM      2  C   LIG    1        3.393   1.056  -0.142  0.00  0.00    +0.109 A 
ATOM      3  S   LIG    1        3.147   2.294  -1.315  0.00  0.00    -0.072 S 
ATOM      4  C   LIG    1        1.795   2.878  -0.441  0.00  0.00    +0.010 A 
ATOM      5  C   LIG    1        1.034   4.055  -0.939  0.00  0.00    +0.053 C 
ATOM      6  C   LIG    1        1.608   2.109   0.693  0.00  0.00    +0.052 A 
ATOM      7  N   LIG    1        2.522   1.080   0.850  0.00  0.00    -0.244 NA
BRANCH   2  12
ATOM      8  C   LIG    1        7.615  -2.933  -0.416  0.00  0.00    +0.044 C 
ATOM      9  C   LIG    1        6.549  -1.881  -0.345  0.00  0.00    -0.050 A 
ATOM     10  C   LIG    1        6.413  -0.938  -1.367  0.00  0.00    +0.004 A 
ATOM     11  C   LIG    1        5.398   0.027  -1.318  0.00  0.00    +0.011 A 
ATOM     12  C   LIG    1        4.486   0.066  -0.252  0.00  0.00    +0.007 A 
ATOM     13  C   LIG    1        4.626  -0.899   0.760  0.00  0.00    +0.011 A 
ATOM     14  C   LIG    1        5.639  -1.863   0.714  0.00  0.00    +0.004 A 
ENDBRANCH   2  12
ENDBRANCH   1   6
BRANCH   1  15
ATOM     15  C   LIG    1       -0.767   1.569   1.378  0.00  0.00    +0.006 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -0.649   0.043   1.380  0.00  0.00    +0.001 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -1.980  -0.704   1.210  0.00  0.00    +0.008 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -2.662  -0.499  -0.158  0.00  0.00    +0.041 C 
ATOM     19  C   LIG    1       -3.644   0.678  -0.181  0.00  0.00    +0.169 C 
ATOM     20  O   LIG    1       -4.952   0.247   0.180  0.00  0.00    -0.340 OA
ATOM     21  C   LIG    1       -5.493  -0.704  -0.748  0.00  0.00    +0.267 C 
ATOM     22  C   LIG    1       -6.318   0.059  -1.786  0.00  0.00    +0.087 C 
ATOM     23  O   LIG    1       -4.474  -1.428  -1.448  0.00  0.00    -0.340 OA
ATOM     24  C   LIG    1       -3.412  -1.771  -0.565  0.00  0.00    +0.169 C 
BRANCH  21  25
ATOM     25  C   LIG    1       -6.461  -1.674   0.002  0.00  0.00    +0.365 C 
ATOM     26  O   LIG    1       -6.789  -1.634   1.179  0.00  0.00    -0.245 OA
BRANCH  25  27
ATOM     27  O   LIG    1       -6.952  -2.665  -0.782  0.00  0.00    -0.477 OA
ATOM     28  H   LIG    1       -7.505  -3.191  -0.169  0.00  0.00    +0.295 HD
ENDBRANCH  25  27
ENDBRANCH  21  25
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH   1  15
TORSDOF 8